SCHEMBL13493606

SCHEMBL13493606

COc1cc(O)cc(CNc2nc(C)c(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@H]4OC(C)(C)O[C@H]43)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12038293 0.96 IRAK4 (0.58) IRAK4
SCHEMBL12038262 0.92 IRAK4 (0.61) IRAK4
SCHEMBL12038317 0.89 IRAK4 (0.54) IRAK4
SCHEMBL12038327 0.89 IRAK4 (0.58) IRAK4
SCHEMBL12038310 0.88 IRAK4 (0.54) IRAK4
SCHEMBL12038585 0.88 IRAK4 (0.59) IRAK4
SCHEMBL12038269 0.87 IRAK4 (0.58) IRAK4
SCHEMBL12038265 0.87 IRAK4 (0.56) IRAK4
SCHEMBL12038217 0.86 IRAK4 (0.58) IRAK4
SCHEMBL12038554 0.86 IRAK4 (0.56) IRAK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-02-25 — — WO disclosed
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